4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide

C19H23ClN2O3S — CID 2328593

IUPAC4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H23ClN2O3S/c1-15(21-26(23,24)18-9-7-17(20)8-10-18)19(16-5-3-2-4-6-16)22-11-13-25-14-12-22/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m0/s1
InChIKeyWULLCNLTSPWKKY-KXBFYZLASA-N
MW394.92 g/mol
LogP3.08
Rot. Bonds6

About 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide

4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide (PubChem CID 2328593) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
PubChem CID2328593
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1
InChIInChI=1S/C19H23ClN2O3S/c1-15(21-26(23,24)18-9-7-17(20)8-10-18)19(16-5-3-2-4-6-16)22-11-13-25-14-12-22/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m0/s1
InChIKeyWULLCNLTSPWKKY-KXBFYZLASA-N
XLogP3.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842
4-chloro-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]benzenesulfonamide
CID 10471593
1-(4-chlorophenyl)-3-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiourea
CID 3885285
4-bromo-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889010
4-fluoro-N-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110860
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1S,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8552654
4-chloro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzenesulfonamide
CID 2955346
4-chloro-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7099199
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8540974
2-fluoro-N-[(1R,2R)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328047
4-[1-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylethyl]morpholine
CID 44890531

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide (CID 2328593) is 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide?
The InChIKey is WULLCNLTSPWKKY-KXBFYZLASA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15(21-26(23,24)18-9-7-17(20)8-10-18)19(16-5-3-2-4-6-16)22-11-13-25-14-12-22/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m0/s1.
What are the key properties of 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2328593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).